Hello,
I am trying to simulate a polymer in the presence of an electric field. After a bit of searching, I found that an electric field could be applied in the GULP module. I carried out a NVT simulation of my polymer of interest (Dreiding forcefield), both in the presence and absence of an electric field. A quick look at the Mean Square Displacement profile of the polymers in these two simulations reveal no effect of the electric field on the polymer (the MSD plots are identical). Am I following the right protocol?
Any advise would be very helpful. Thank you in advance!
I am trying to simulate a polymer in the presence of an electric field. After a bit of searching, I found that an electric field could be applied in the GULP module. I carried out a NVT simulation of my polymer of interest (Dreiding forcefield), both in the presence and absence of an electric field. A quick look at the Mean Square Displacement profile of the polymers in these two simulations reveal no effect of the electric field on the polymer (the MSD plots are identical). Am I following the right protocol?
Any advise would be very helpful. Thank you in advance!